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MMsINC code: MMs02812854

Type: Neutral
Formula: C₅H₁₁NO₅S

SMILES:

S(O)(=O)(=O)CCNC(C(O)=O)C

InChI:

InChI=1/C5H11NO5S/c1-4(5(7)8)6-2-3-12(9,10)11/h4,6H,2-3H2,1H3,(H,7,8)(H,9,10,11)/t4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.17059 kcal/mol

Physical Properties
Molecular Weight: 197.211 g/mol	logS: 0.29892	SlogP: -1.6288	Reactive groups: 0

Topological Properties
Globularity: 0.069241	Sterimol/B1: 2.17121	Sterimol/B2: 2.69106	Sterimol/B3: 3.74951
Sterimol/B4: 5.07189	Sterimol/L: 12.8492

Surface and Volume Properties
Accessible surface: 374.018	Positive charged surface: 208.266	Negative charged surface: 165.752	Volume: 156.625
Hydrophobic surface: 124.395	Hydrophilic surface: 249.623

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02812855
PUBCHEM-ZINC01529237